N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide

C19H24FN3O — CID 109213953

IUPACN-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccnc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H24FN3O/c1-2-3-6-11-21-16-10-13-22-18(14-16)19(24)23-12-9-15-7-4-5-8-17(15)20/h4-5,7-8,10,13-14H,2-3,6,9,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyJKHXKIRSQFNFTI-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.80
Rot. Bonds9

About N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide

N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide (PubChem CID 109213953) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
PubChem CID109213953
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccnc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H24FN3O/c1-2-3-6-11-21-16-10-13-22-18(14-16)19(24)23-12-9-15-7-4-5-8-17(15)20/h4-5,7-8,10,13-14H,2-3,6,9,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyJKHXKIRSQFNFTI-UHFFFAOYSA-N
XLogP3.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109214267
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109213974
N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210289
4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214014
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160
6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109350857
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide (CID 109213953) is N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide is CCCCCNc1ccnc(C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide?
The InChIKey is JKHXKIRSQFNFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-2-3-6-11-21-16-10-13-22-18(14-16)19(24)23-12-9-15-7-4-5-8-17(15)20/h4-5,7-8,10,13-14H,2-3,6,9,11-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).